Article : texte imprimé

Investigation of the relationships between molecular structure, molecular descriptors, and physical properties

Inga Paster, Auteur ; Shacham, Mordechai, Auteur ; Neima Brauner, Auteur |

Dans Industrial & engineering chemistry research (Vol. 48 N° 21, Novembre 2009)

The use of databases containing thousands of molecular descriptors, including 3-D descriptors, for predicting physical properties is discussed. It is shown that the use of 3-D descriptors for property prediction via quantitative structure proper[...]

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